2-chloro-N-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-dimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-dimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol

C61H67Cl3N20O8 — CID 167706783

IUPAC2-chloro-N-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-dimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-dimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
SMILESCOc1ccc(-n2cnc(N)c2)cc1OC.COc1ccc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)cc1OC.COc1ccc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nn4cccc34)c2)cc1OC.Clc1nc(Cl)c2cccn2n1.OC[C@@H]1CCCN1
InChIInChI=1S/C22H25N7O3.C17H15ClN6O2.C11H13N3O2.C6H3Cl2N3.C5H11NO/c1-31-18-8-7-15(11-19(18)32-2)27-12-20(23-14-27)24-21-17-6-4-10-29(17)26-22(25-21)28-9-3-5-16(28)13-30;1-25-13-6-5-11(8-14(13)26-2)23-9-15(19-10-23)20-16-12-4-3-7-24(12)22-17(18)21-16;1-15-9-4-3-8(5-10(9)16-2)14-6-11(12)13-7-14;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h4,6-8,10-12,14,16,30H,3,5,9,13H2,1-2H3,(H,24,25,26);3-10H,1-2H3,(H,20,21,22);3-7H,12H2,1-2H3;1-3H;5-7H,1-4H2/t16-;;;;5-/m0...0/s1
InChIKeyZFDUHZPYODIMSB-ZADWPAQNSA-N
MW1314.70 g/mol
LogP9.20
Rot. Bonds16

About 2-chloro-N-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-dimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-dimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol

2-chloro-N-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-dimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-dimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 167706783) has the molecular formula C61H67Cl3N20O8 and a molecular weight of 1314.70 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-dimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-dimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name2-chloro-N-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-dimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-dimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
PubChem CID167706783
Molecular FormulaC61H67Cl3N20O8
Molecular Weight1314.70 g/mol
Exact Mass1312.45
IUPAC Name2-chloro-N-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-dimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-dimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
SMILESCOc1ccc(-n2cnc(N)c2)cc1OC.COc1ccc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)cc1OC.COc1ccc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nn4cccc34)c2)cc1OC.Clc1nc(Cl)c2cccn2n1.OC[C@@H]1CCCN1
InChIInChI=1S/C22H25N7O3.C17H15ClN6O2.C11H13N3O2.C6H3Cl2N3.C5H11NO/c1-31-18-8-7-15(11-19(18)32-2)27-12-20(23-14-27)24-21-17-6-4-10-29(17)26-22(25-21)28-9-3-5-16(28)13-30;1-25-13-6-5-11(8-14(13)26-2)23-9-15(19-10-23)20-16-12-4-3-7-24(12)22-17(18)21-16;1-15-9-4-3-8(5-10(9)16-2)14-6-11(12)13-7-14;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h4,6-8,10-12,14,16,30H,3,5,9,13H2,1-2H3,(H,24,25,26);3-10H,1-2H3,(H,20,21,22);3-7H,12H2,1-2H3;1-3H;5-7H,1-4H2/t16-;;;;5-/m0...0/s1
InChIKeyZFDUHZPYODIMSB-ZADWPAQNSA-N
XLogP9.20
TPSA305.22 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001314.70
LogP ≤ 59.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 2-chloro-N-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-dimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-dimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

(S)-(1-(4-((1-(benzo[d][1,3]dioxol-5-yl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-2-yl)methanol
CID 137362604
(S)-(1-(4-((1-(3,4-diethoxyphenyl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-2-yl)methanol
CID 137363075
(S)-(1-(4-((1-(3-chloro-5-methoxyphenyl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-2-yl)methanol
CID 137363104
(S)-(1-(7-((4-cyclopropylpiperazin-1-yl)methyl)-4-((1-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-2-yl)methanol
CID 137363153
(S)-(1-(7-(morpholinomethyl)-4-((1-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-2-yl)methanol
CID 137363243
(S)-(1-(4-((1-(3,4-dimethoxyphenyl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-2-yl)methanol
CID 137363302
(S)-(1-(7-(piperidin-1-ylmethyl)-4-((1-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-2-yl)methanol
CID 137363457
(S)-(1-(2-((1-(3,4-dimethoxyphenyl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl)methanol
CID 137363759
(R)-(1-(7-(piperidin-1-ylmethyl)-4-((1-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-2-yl)methanol
CID 142497927
(S)-(1-(4-((1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-2-yl)methanol
CID 142498306
(S)-(1-(7-(piperazin-1-ylmethyl)-4-((1-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-2-yl)methanol
CID 142498403
(S)-(1-(7-((4-methylpiperazin-1-yl)methyl)-4-((1-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-2-yl)methanol
CID 153526599

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-dimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-dimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol?
The IUPAC name of 2-chloro-N-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-dimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-dimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol (CID 167706783) is 2-chloro-N-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-dimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-dimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for 2-chloro-N-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-dimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-dimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol?
The canonical SMILES for 2-chloro-N-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-dimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-dimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol is COc1ccc(-n2cnc(N)c2)cc1OC.COc1ccc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)cc1OC.COc1ccc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nn4cccc34)c2)cc1OC.Clc1nc(Cl)c2cccn2n1.OC[C@@H]1CCCN1.
What is the InChIKey of 2-chloro-N-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-dimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-dimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol?
The InChIKey is ZFDUHZPYODIMSB-ZADWPAQNSA-N. The full InChI is InChI=1S/C22H25N7O3.C17H15ClN6O2.C11H13N3O2.C6H3Cl2N3.C5H11NO/c1-31-18-8-7-15(11-19(18)32-2)27-12-20(23-14-27)24-21-17-6-4-10-29(17)26-22(25-21)28-9-3-5-16(28)13-30;1-25-13-6-5-11(8-14(13)26-2)23-9-15(19-10-23)20-16-12-4-3-7-24(12)22-17(18)21-16;1-15-9-4-3-8(5-10(9)16-2)14-6-11(12)13-7-14;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h4,6-8,10-12,14,16,30H,3,5,9,13H2,1-2H3,(H,24,25,26);3-10H,1-2H3,(H,20,21,22);3-7H,12H2,1-2H3;1-3H;5-7H,1-4H2/t16-;;;;5-/m0...0/s1.
What are the key properties of 2-chloro-N-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-dimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-dimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol?
2-chloro-N-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-dimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-dimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 1314.70 g/mol, XLogP of 9.20, 16 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-dimethoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-dimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167706783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).